Summary
IMPPAT Phytochemical identifier: IMPHY010980
Phytochemical name: Eucalyptin
Synonymous chemical names:5-hydroxy-4',7-dimethoxy-6,8-dimethylflavone, eucalyptin
External chemical identifiers:CID:76573, ZINC:ZINC000002566159, SureChEMBL:SCHEMBL1250942, MolPort-006-115-081
Chemical structure information
SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(C)c(c(c2O)C)OCInChI:
InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3InChIKey:
NHMMAMIRMITGRD-UHFFFAOYSA-NDeepSMILES:
COcccccc6))ccc=O)cco6)cC)ccc6O))C))OCFunctional groups:
c=O, cO, cOC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: O-methylated flavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavones
NP-Likeness score: 1.242
Chemical structure download
